SCHEMBL3328811

SCHEMBL3328811

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N)nc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.43
PIK3R1 P27986 12/20 0.43
MAPK1 P28482 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MTOR P42345 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL243584 0.90 PIK3CA (0.41) PIK3CAPIK3R1MAPK1PIK3CDPIK3CB
SCHEMBL244726 0.86 PIK3CA (0.40) PIK3CAPIK3R1MAPK1KDM4EHTT
SCHEMBL243285 0.83 PIK3CA (0.40) PIK3CAPIK3R1KDM4EHTTMTOR
SCHEMBL14803578 0.82 ADORA2A (0.47) PIK3CAPIK3R1PIK3CDPIK3CBKDM4E
SCHEMBL3108283 0.77 PIK3CA (0.42) PIK3CAPIK3R1MAPK1PIK3CDPIK3CB
SCHEMBL3342182 0.73 GPR119 (0.41) PIK3CAMTOR
SCHEMBL243583 0.73 PIK3CA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBKDM4E
SCHEMBL3344414 0.72 ALDH1A1 (0.39) PIK3CAPIK3R1MAPK1KDM4EMTOR
SCHEMBL1458406 0.72 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3CBKDM4E
SCHEMBL3994283 0.71 LMNA (0.41) PIK3CAPIK3CDPIK3CBHTTMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed